GMPavanLab / Swarm-CG

Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization

https://pubs.acs.org/doi/10.1021/acsomega.0c05469

GMPavanLab/Swarm-CG Issues

[TypeError: center() got an unexpected keyword argument 'pbc']
Updated 5 months ago7
Newer gromacs version than 2019 have a different tpr and are not supported?
Closed 8 months ago1
"CG ITP file constraints have been grouped, but constraints group 1 holds lines that have different parameters"
Updated 9 months ago1
MD run failed(unstable simulation was killed, with unstable = NOT writing in log file for 60 sec)
Updated a year ago
md run failing
Updated 2 years ago
Swarm-CG & Gromacs 2021
Updated 3 years ago
Constraints optimization
Closed 4 years ago3
Extended Usage Request: Adding GROMACS angle function 10 - Restriced Bending Angle Potential
Updated 4 years ago1
scg_optimize fails on WSL due to permission denied
Updated 4 years ago1
AttributeError: 'Namespace' object has no attribute 'gmx_cmd'
Closed 4 years ago3
VirtualSites are silently dropped from itp
Updated 4 years ago4
not listed on the MDAnalysis "Used by" page
Closed 4 years ago1